1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

C19H20N8O2 — CID 68835408

IUPAC1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nnc(C(C)C)o3)n2n1
InChIInChI=1S/C19H20N8O2/c1-4-21-19(28)23-18-22-15-9-13(12-6-5-7-20-10-12)8-14(27(15)26-18)17-25-24-16(29-17)11(2)3/h5-11H,4H2,1-3H3,(H2,21,23,26,28)
InChIKeyDAGREDCCFNFCEP-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.11
Rot. Bonds5

About 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 68835408) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID68835408
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nnc(C(C)C)o3)n2n1
InChIInChI=1S/C19H20N8O2/c1-4-21-19(28)23-18-22-15-9-13(12-6-5-7-20-10-12)8-14(27(15)26-18)17-25-24-16(29-17)11(2)3/h5-11H,4H2,1-3H3,(H2,21,23,26,28)
InChIKeyDAGREDCCFNFCEP-UHFFFAOYSA-N
XLogP3.11
TPSA123.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 68835408) is 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nnc(C(C)C)o3)n2n1.
What is the InChIKey of 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is DAGREDCCFNFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-4-21-19(28)23-18-22-15-9-13(12-6-5-7-20-10-12)8-14(27(15)26-18)17-25-24-16(29-17)11(2)3/h5-11H,4H2,1-3H3,(H2,21,23,26,28).
What are the key properties of 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 392.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 68835408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).